Peter is correct, those are just warnings. But they are irritating warnings.
You should be able to get rid of them by changing the call to:

fig, maxweight = SimilarityMaps.GetSimilarityMapForModel(m5,
SimilarityMaps.GetMorganFingerprint, lambda x: getProba((x,),
rf.predict_proba))

This passes getProba() a tuple with the fingerprint in question.

-greg


On Thu, Jan 19, 2017 at 12:12 AM, Peter S. Shenkin <shen...@gmail.com>
wrote:

> These are not errors. They are warnings, as stated in the messages.
>
> Do you have any evidence that the procedure is not working? If not, the
> reason is unlikely to be these warnings.
>
> What the message is saying is that in a future release of sklearn
> (scikit-learn), the calling code will have to use the validation module
> differently.
>
> I don't know this part of RDKit, but the purport is presumably that
> whoever is maintaining the part of RDKit that calls the validation module
> (directly or indirectly) will have to make the change described in the
> warning messages before RDKit starts using version 0.19 of sklearn. A quick
> google search indicates that version 0.19 hasn't been released yet, so the
> current calling protocol should work for now. But we have been
> forewarned....
>
> -P.
>
> On Wed, Jan 18, 2017 at 2:26 PM, Chris Swain <sw...@mac.com> wrote:
>
>> Hi,
>>
>> I’ve been trying a few o the examples in http://www.rdkit.org/docs/C
>> ookbook.html
>>
>> and I’d like to use the Similarity Maps as shown below
>>
>> from rdkit.Chem.Draw import SimilarityMaps
>> # helper functiondef getProba(fp, predictionFunction):
>>   return predictionFunction(fp)[0][1]
>> m5 = Chem.MolFromSmiles('c1ccccc1O')fig, maxweight = 
>> SimilarityMaps.GetSimilarityMapForModel(m5, 
>> SimilarityMaps.GetMorganFingerprint, lambda x: getProba(x, rf.predict_proba))
>>
>> But I get this error.
>>
>> /usr/local/lib/python2.7/site-packages/sklearn/utils/validation.py:395: 
>> DeprecationWarning: Passing 1d arrays as data is deprecated in 0.17 and will 
>> raise ValueError in 0.19. Reshape your data either using X.reshape(-1, 1) if 
>> your data has a single feature or X.reshape(1, -1) if it contains a single 
>> sample.
>>   DeprecationWarning)
>> /usr/local/lib/python2.7/site-packages/sklearn/utils/validation.py:395: 
>> DeprecationWarning: Passing 1d arrays as data is deprecated in 0.17 and will 
>> raise ValueError in 0.19. Reshape your data either using X.reshape(-1, 1) if 
>> your data has a single feature or X.reshape(1, -1) if it contains a single 
>> sample.
>>   DeprecationWarning)
>> /usr/local/lib/python2.7/site-packages/sklearn/utils/validation.py:395: 
>> DeprecationWarning: Passing 1d arrays as data is deprecated in 0.17 and will 
>> raise ValueError in 0.19. Reshape your data either using X.reshape(-1, 1) if 
>> your data has a single feature or X.reshape(1, -1) if it contains a single 
>> sample.
>>   DeprecationWarning)
>> /usr/local/lib/python2.7/site-packages/sklearn/utils/validation.py:395: 
>> DeprecationWarning: Passing 1d arrays as data is deprecated in 0.17 and will 
>> raise ValueError in 0.19. Reshape your data either using X.reshape(-1, 1) if 
>> your data has a single feature or X.reshape(1, -1) if it contains a single 
>> sample.
>>   DeprecationWarning)
>>
>>
>> Cheers,
>>
>> Chris
>>
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>>
>
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